diff --git a/configure b/configure index e3aad8ca..17a791d3 100755 --- a/configure +++ b/configure @@ -395,10 +395,10 @@ _|_ | | _> |_ (_| | | (_| |_ | (_) | | with open(path, "w+") as f: f.write("\n".join(l_string)) - print " [ OK ] ({0})".format(path) + print "[ OK ] ({0})".format(path) print str_info("install"), - print " [ Running ]" + print "[ Running ]" try: path_ninja = find_path("ninja", l_installed) subprocess.check_call("cd install ;{0}".format(path_ninja), shell=True) @@ -501,7 +501,8 @@ def recommendation(): print " ninja" print " make -C ocaml" print "" - print "PS : For more info on compiling the code, read the COMPILE_RUN.md file." + print "You can install more plugin with the qp_install command" + print "PS : For more info on compiling the code, read the README.md" if __name__ == '__main__': diff --git a/ocaml/.gitignore b/ocaml/.gitignore index cbd77939..dff732e4 100644 --- a/ocaml/.gitignore +++ b/ocaml/.gitignore @@ -3,47 +3,45 @@ ezfio.ml Qptypes.ml qptypes_generator.byte _build -qp_basis_clean.native qp_create_ezfio_from_xyz.native -qp_edit.native -qp_print.native -qp_run.native qp_set_ddci.native +qp_run.native +qp_print.native qp_set_mo_class.native +qp_basis_clean.native qp_edit.native -test_atom.byte -test_basis.byte -test_bitlist.byte -test_determinants.byte -test_elements.byte -test_excitation.byte -test_gto.byte test_mo_label.byte -test_molecule.byte +test_bitlist.byte test_point3d.byte -test_atom -test_basis -test_bitlist -test_determinants -test_elements -test_excitation -test_gto +test_elements.byte +test_basis.byte +test_gto.byte +test_determinants.byte +test_excitation.byte +test_atom.byte +test_molecule.byte test_mo_label -test_molecule +test_bitlist test_point3d -qp_basis_clean +test_elements +test_basis +test_gto +test_determinants +test_excitation +test_atom +test_molecule qp_create_ezfio_from_xyz -qp_edit -qp_print -qp_run qp_set_ddci +qp_run +qp_print qp_set_mo_class +qp_basis_clean Input_determinants.ml -Input_hartree_fock.ml -Input_integrals_bielec.ml Input_perturbation.ml -Input_properties.ml Input_pseudo.ml +Input_integrals_bielec.ml +Input_properties.ml +Input_hartree_fock.ml qp_edit.ml qp_edit qp_edit.native diff --git a/testing_no_regression/unit_test.py b/testing_no_regression/unit_test.py index fda06256..6c4ae6b9 100755 --- a/testing_no_regression/unit_test.py +++ b/testing_no_regression/unit_test.py @@ -5,11 +5,6 @@ import subprocess import os import sys -qpackage_root = os.environ['QP_ROOT'] - -EZFIO = "{0}/install/EZFIO".format(qpackage_root) -sys.path = [EZFIO + "/Python"] + sys.path - from ezfio import ezfio from collections import defaultdict from collections import namedtuple